邻甲苯乙酸甲酯

邻甲苯乙酸甲酯 基本信息
CAS号 40851-62-5 分子式 C10H12O2
分子量 164.20100 精确质量  164.08400
PSA  26.30000 LogP  1.71050

基本信息 展开↓

CAS号:
40851-62-5
3D弹球模型:
立即前往扯扯看
分子式:
C10H12O2
分子量:
164.20100
中文名称:
邻甲苯乙酸甲酯
英文名称:
methyl 2-(2-methylphenyl)acetate
中文别名:
邻甲苯乙酸甲酯;
4-(2,4-Dichlorophenoxy)phenol;
2,4-dichlorophenoxyphenol;
2H-Cyclopenta[b]furan-2-one,5-(benzoyloxy)hexahydro-4-[(1E)-3-oxo-1-octen-1-yl]-,(3aR,4R,5R,6aS)-;
2H-Cyclopenta[b]furan-2-one, 5-(benzoyloxy)hexahydro-4-[(1E)-3-oxo-1-octen-1-yl]-, (3aR,4R,5R,6aS)-;
5-(Benzoyloxy)-3,3A,4,5,6,6A-Hexahydro-4-(3-Oxo-1-Octenyl)-2H-Cyclopenta(B)Furan-2-One;
5-(Benzoyloxy)-3,3a,4,5,6,6a-hexahydro-4-(3-oxo-1-octenyl)-2H-;
4-Amyl-4-Biphenylcarbonitrile;
4-Cyano-4'-n-pentylbiphenyl;
prop-2-enoic acid - 2-(acryloylamino)butane-2-sulfonic acid (1:1);
AA-AMPSA;
5'-O-(4,4'-Dimethoxytrityl)-thymidine;
DMT-dT;
tris(4-tert-butyl-3-hydroxy-2,6-dimethyl-benzyl);
ent70460;
kabat;
manta;
minex;
oms1697;
pharoid;
1-methylethyl (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate;
isopropyl (2Z,4E)-11-methoxy-3,7,11-trimethyl-dodeca-2,4-dienoate;
Pendimethalin
英文别名:
methyl 2-(2-methylphenyl)acetate;
methyl 2-o-tolylacetate;
METHYL O-TOLYLACETATE;
Methyl o-tolylacetate;
2-methoxycarbonylmethyltoluene;
2-Methyl-benzeneacetic acid methyl ester
精确分子量/精确质量:
164.08400
极性分子表面积/PSA:
26.30000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00082780
BRN:
2208739
InChI:
InChI=1/C10H12O2/c1-8-5-3-4-6-9(8)7-10(11)12-2/h3-6H,7H2,1-2H3

物化性质展开↓

密度:
1.035g/cm3
沸点:
229.8ºC at 760mmHg
闪点:
101.9ºC
折射率:
1.511
存储条件/存储方法:

 密封、阴凉、干燥保存

稳定性相关:

常规情况下不会分解,没有危险反应

其它信息:

1.       性状:液体

2.       密度(g/mL,20ºC):未确定

3.       相对蒸汽密度(g/mL,空气=1): 未确定

4.       熔点(ºC):未确定

5.       沸点(ºC):70-71

6.       沸点(ºC 1mm hg):未确定

7.       折射率:1.5110

8.       闪点(ºC):70-71°C/1mm

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC): 未确定

11.    蒸气压(kPa,25ºC):未确定

12.    饱和蒸气压(kPa,60ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(KPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:未确定

安全信息展开↓

海关代码:
2916399090
安全说明:
S23-S24/25

合成路线查看所有的合成路线

  • 644-36-0

    邻甲基苯乙酸

  • ~96%

  • 40851-62-5

    邻甲苯乙酸甲酯

  • 552-45-4

    邻甲基氯化苄

  • ~94%

  • 40851-62-5

    邻甲苯乙酸甲酯

  • 67-56-1

    甲醇

  • +

  • 644-36-0

    邻甲基苯乙酸

  • ~92%

  • 40851-62-5

    邻甲苯乙酸甲酯

毒理性展开↓

生态数据:

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

Name: Methyl 2-methylphenylacetate Material Safety Data Sheet
Synonym: Methyl o-tolylacetat
CAS: 40851-62-5
Section 1 - Chemical Product   MSDS Name:Methyl 2-methylphenylacetate Material Safety Data Sheet
Synonym:Methyl o-tolylacetat

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
40851-62-5 Methyl 2-methylphenylacetate unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 40851-62-5: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 70 - 71 deg C @1mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H12O2
Molecular Weight: 164.2

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 40851-62-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Methyl 2-methylphenylacetate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 40851-62-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 40851-62-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 40851-62-5 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2916399090

概述:
2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
摘要/Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积26.3

7.重原子数量:12

8.表面电荷:0

9.复杂度:154

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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